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QUANTUM TRANSMITTING BOUNDARY METHOD

To sketch the outlines of the QTBM consider a one-dimensional continuum problem defined by Schrödinger's equation with a potential which is constant for and (and which will in general have different values in these two semi-infinite regions). For a given energy E such that and , the general solution to Schrödinger's equation in these regions can be written as:

where and are the amplitudes of the incoming wave components and and are the amplitudes of the outgoing wave components. Now, at the left-hand boundary:

 

We may readily solve equation (2) for and similarly solve for to obtain:

  

Equations (3) and (4) now provide the QTBM boundary conditions, if one chooses to specify the values of and . Boundary conditions of this form are known as Robbins conditions. They are implicit, in the sense that the values of , , , and must be obtained by solving (3) and (4) simultaneously with the differential equation itself. If one uses a discrete approximation to Schrödinger's equation this presents no problem, because the differential equation is reduced to a set of algebraic equations and the boundary conditions (3) and (4) simply add two more equations to this set.



William R. Frensley
Tue May 30 15:08:08 CDT 1995